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Tigloside

CAT: 0804-HY-131307-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-131307-02Size:5 mg
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Description
Tigloside (Actinotetraose hexatiglate) is a symmetrical tetrasaccharide esterified with Tiglic acids , which is detected as a secondary metabolite of an actinomycete strain Amycolatopsis[1].
CAS Number
216590-44-2
Product Name Alternative
Actinotetraose hexatiglate
UNSPSC
12352005
Target
Endogenous Metabolite
Type
Natural Products
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/tigloside.html
Purity
98.4
Solubility
10 mM in DMSO
Smiles
C/C=C(C)/C(O[C@H]1[C@@H]([C@H]([C@](O[C@@H]1CO)([H])O[C@H]2[C@H](O[C@@H]([C@H]([C@@H]2O)O)COC(/C(C)=C/C)=O)O[C@]3([H])[C@@H]([C@H]([C@@H]([C@H](O3)COC(/C(C)=C/C)=O)O)O)O[C@@]4([H])[C@@H]([C@H]([C@@H]([C@H](O4)CO)OC(/C(C)=C/C)=O)OC(/C(C)=C/C)=O)O)O)OC(/C(C)=C/C)=O)=O
Molecular Formula
C54H78O27
Molecular Weight
1159.18
References & Citations
[1]Breinholt J. Trigloside: a new tigloylated tetrasaccharide from Amycolatopsis sp[J]. Acta Chem. Scand., 1998, 52: 1239-1242.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Actinotetraose hexatiglate

Actinotetraose hexatiglate is a lipopolysaccharide.

CAS Number216590-44-2
PubChem CID10843896
IUPAC Name[(2R,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6R)-3-hydroxy-6-(hydroxymethyl)-4,5-bis[[(E)-2-methylbut-2-enoyl]oxy]oxan-2-yl]oxy-6-[[(E)-2-methylbut-2-enoyl]oxymethyl]oxan-2-yl]oxy-3,4-dihydroxy-5-[(2S,3R,4R,5R,6R)-3-hydroxy-6-(hydroxymethyl)-4,5-bis[[(E)-2-methylbut-2-enoyl]oxy]oxan-2-yl]oxyoxan-2-yl]methyl (E)-2-methylbut-2-enoate
Molecular FormulaC54H78O27
Molecular Weight1159.2
XLogP1
Topological Polar Surface Area384
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count27
Rotatable Bond Count28
Heavy Atom Count81
Formal Charge0
Complexity2210
SMILES
C/C=C(/C(=O)OC[C@H]1O[C@@H]([C@@H]([C@H]([C@@H]1O)O)O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)OC(=O)/C(=C/C)/C)OC(=O)/C(=C/C)/C)CO)O[C@H]3O[C@@H]([C@H]([C@@H]([C@H]3O[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)OC(=O)/C(=C/C)/C)OC(=O)/C(=C/C)/C)CO)O)O)COC(=O)/C(=C/C)/C)\C
InChI
InChI=1S/C54H78O27/c1-13-23(7)45(63)69-21-31-33(57)35(59)43(79-51-37(61)41(77-49(67)27(11)17-5)39(29(19-55)71-51)75-47(65)25(9)15-3)53(73-31)81-54-44(36(60)34(58)32(74-54)22-70-46(64)24(8)14-2)80-52-38(62)42(78-50(68)28(12)18-6)40(30(20-56)72-52)76-48(66)26(10)16-4/h13-18,29-44,51-62H,19-22H2,1-12H3/b23-13+,24-14+,25-15+,26-16+,27-17+,28-18+/t29-,30-,31-,32-,33-,34-,35+,36+,37-,38-,39-,40-,41-,42-,43-,44-,51+,52+,53-,54-/m1/s1
InChIKey
BHAUYHDLIURVPC-ZNKXWPPQSA-N
Chemical Structure
2D Structure
2D structure of Actinotetraose hexatiglate
CAS: 216590-44-2
CID: 10843896
Formula: C54H78O27
MW: 1159.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1159.2
XLogP31
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count27
Rotatable Bond Count28
Exact Mass1158.47304721
Monoisotopic Mass1158.47304721
Topological Polar Surface Area384 Ų
Heavy Atom Count81
Formal Charge0
Complexity2210
Isotope Atom Count0
Defined Atom Stereocenter Count20
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count6
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19234435-01Tigloside

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